(1-oxidanylcyclohexyl)methyl-[(5S)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: (1-oxidanylcyclohexyl)methyl-[(5S)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(1-hydroxycyclohexyl)methyl]ammonium CAS Name: (1-hydroxycyclohexyl)methyl-[(5S)-3-[oxo(1-pyrrolidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (1-hydroxycyclohexyl)methyl-[(5S)-1-prop-2-enyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(1-hydroxycyclohexyl)methyl]ammonium Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CC3(CCCCC3)O)C(=N1)C(=O)N4CCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@H](CC2)[NH2+]CC3(CCCCC3)O)C(=N1)C(=O)N4CCCC4

InChI

InChI=1S/C22H34N4O2/c1-2-12-26-19-9-8-17(23-16-22(28)10-4-3-5-11-22)15-18(19)20(24-26)21(27)25-13-6-7-14-25/h2,17,23,28H,1,3-16H2/p+1/t17-/m0/s1